#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x5r n SER 2 N 0.00 -7.39 -3.49 1.61 7.64 -1.26 -5.07 113.62 105.65 1x5r n SER 2 Ca 0.00 1.62 -0.09 0.00 1.01 0.00 0.00 58.87 61.41 1x5r n SER 2 Cb 0.00 -4.35 -0.02 0.00 -1.01 0.00 0.00 64.21 58.83 1x5r n SER 2 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1x5r s SER 3 N -5.25 -0.41 -0.09 6.43 1.04 -1.26 -5.16 113.70 109.00 1x5r s SER 3 Ca 0.00 0.03 -0.03 0.00 0.48 0.00 0.00 55.95 56.43 1x5r s SER 3 Cb 0.00 0.43 0.04 0.00 0.10 0.00 0.00 66.02 66.59 1x5r s SER 3 CO 0.00 -0.68 0.06 -0.83 0.98 0.00 0.00 173.24 172.77 1x5r s GLY 4 N -2.45 0.32 -0.11 7.32 0.00 -1.26 -5.13 107.32 106.01 1x5r s GLY 4 Ca 0.04 -0.05 -0.30 0.00 0.00 0.00 0.00 44.72 44.40 1x5r s GLY 4 CO -0.09 1.45 0.86 -0.45 0.00 0.00 0.00 173.10 174.86 1x5r s SER 5 N 2.11 -0.50 -0.28 1.64 0.15 -1.26 -5.18 113.70 110.38 1x5r s SER 5 Ca 0.04 0.55 -0.26 0.00 0.70 0.00 0.00 55.95 56.98 1x5r s SER 5 Cb -0.13 0.41 0.17 0.00 -1.71 0.00 0.00 66.02 64.76 1x5r s SER 5 CO -0.05 -0.46 1.32 -0.44 1.20 0.00 0.00 173.24 174.81 1x5r s SER 6 N -1.13 -0.15 0.00 5.45 0.01 -1.26 -5.18 113.70 111.43 1x5r s SER 6 Ca -0.06 0.27 0.00 0.00 1.31 0.00 0.00 55.95 57.47 1x5r s SER 6 Cb -0.00 0.26 0.00 0.00 0.21 0.00 0.00 66.02 66.49 1x5r s SER 6 CO 0.05 -0.07 0.00 0.61 0.41 0.00 0.00 173.24 174.25 1x5r n GLY 7 N 1.51 -2.10 2.80 3.44 0.00 -1.26 -5.15 105.19 104.44 1x5r n GLY 7 Ca -0.09 -1.25 0.00 0.00 0.00 0.00 0.00 46.02 44.68 1x5r n GLY 7 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1x5r n GLY 8 N -0.46 0.92 0.00 -0.02 0.00 -1.26 -5.07 105.19 99.30 1x5r n GLY 8 Ca 0.00 -1.04 0.00 0.00 0.00 0.00 0.00 46.02 44.98 1x5r n GLY 8 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1x5r n GLY 9 N 0.00 0.71 2.66 -0.02 0.00 -1.26 -5.12 105.19 102.16 1x5r n GLY 9 Ca 0.00 -1.93 -0.04 0.00 0.00 0.00 0.00 46.02 44.05 1x5r n GLY 9 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1x5r n GLN 10 N 0.00 -3.79 -3.25 1.61 6.02 -1.26 -5.02 117.38 111.68 1x5r n GLN 10 Ca 0.00 2.89 -0.20 0.00 -0.01 0.00 0.00 57.00 59.68 1x5r n GLN 10 Cb 0.00 -3.92 0.01 0.00 1.02 0.00 0.00 30.24 27.35 1x5r n GLN 10 CO 0.00 0.00 0.00 0.96 -1.01 0.00 0.00 177.06 177.01 1x5r s ILE 11 N -0.48 2.49 0.29 5.09 -4.36 -1.26 -5.09 121.20 117.88 1x5r s ILE 11 Ca -0.19 -1.14 -0.27 0.00 -0.26 0.00 0.00 60.65 58.80 1x5r s ILE 11 Cb 0.01 -2.63 -0.09 0.00 1.25 0.00 0.00 42.46 41.00 1x5r s ILE 11 CO 0.50 0.00 0.92 0.54 0.24 0.00 0.00 174.94 177.15 1x5r s VAL 12 N -2.53 4.21 0.13 8.37 0.11 -1.26 -4.97 120.40 124.46 1x5r s VAL 12 Ca 0.53 1.85 -0.31 0.00 -2.93 0.00 0.00 61.98 61.12 1x5r s VAL 12 Cb -0.06 -4.08 -0.08 0.00 -1.53 0.00 0.00 36.38 30.63 1x5r s VAL 12 CO 0.32 0.24 1.57 0.45 -3.33 0.00 0.00 175.10 174.35 1x5r h HIS 13 N 3.45 -1.41 -3.31 1.54 -0.00 -2.01 -3.41 115.15 110.00 1x5r h HIS 13 Ca -0.46 0.06 -0.42 0.00 -0.00 0.00 0.00 60.37 59.54 1x5r h HIS 13 Cb 1.19 0.64 0.20 0.00 -0.00 0.00 0.00 27.41 29.45 1x5r h HIS 13 CO 0.62 -0.51 0.02 0.99 -0.00 0.00 0.00 177.93 179.04 1x5r s THR 14 N -5.80 1.80 0.55 2.45 2.01 -1.26 -5.01 115.64 110.38 1x5r s THR 14 Ca -0.15 0.00 0.07 0.00 0.31 0.00 0.00 61.69 61.92 1x5r s THR 14 Cb 0.09 -2.17 0.06 0.00 0.01 0.00 0.00 72.50 70.48 1x5r s THR 14 CO 0.63 0.00 0.56 -1.61 -0.69 0.00 0.00 174.62 173.50 1x5r s GLU 15 N -4.75 2.28 -0.10 4.92 0.41 0.14 -4.96 118.70 116.64 1x5r s GLU 15 Ca 0.68 -1.87 -0.09 0.00 -0.41 0.00 0.00 54.97 53.29 1x5r s GLU 15 Cb -0.20 -2.32 0.03 0.00 -1.78 0.00 0.00 34.13 29.86 1x5r s GLU 15 CO 0.61 -0.71 0.26 0.95 -0.49 0.00 0.00 175.26 175.89 1x5r s THR 16 N -2.73 -0.00 -0.05 3.63 -4.23 -1.26 -2.85 115.64 108.16 1x5r s THR 16 Ca 0.45 0.02 0.05 0.00 -1.18 0.00 0.00 61.69 61.02 1x5r s THR 16 Cb -0.04 -0.37 -0.00 0.00 1.34 0.00 0.00 72.50 73.43 1x5r s THR 16 CO 0.28 0.01 -0.18 0.28 -0.54 0.00 0.00 174.62 174.46 1x5r s THR 17 N 0.27 1.53 -0.26 3.99 -1.32 -1.05 -4.96 115.64 113.85 1x5r s THR 17 Ca -0.01 -0.77 -0.08 0.00 -1.21 0.00 0.00 61.69 59.62 1x5r s THR 17 Cb -0.03 -1.31 -0.03 0.00 -1.51 0.00 0.00 72.50 69.62 1x5r s THR 17 CO -0.01 0.44 0.09 -0.70 -2.21 0.00 0.00 174.62 172.23 1x5r s GLU 18 N 0.01 3.67 -0.07 7.08 2.12 -1.26 -2.06 118.70 128.20 1x5r s GLU 18 Ca -0.04 -0.47 0.00 0.00 0.36 0.00 0.00 54.97 54.82 1x5r s GLU 18 Cb -0.12 -3.39 -0.03 0.00 0.26 0.00 0.00 34.13 30.85 1x5r s GLU 18 CO 0.02 -0.21 -0.04 0.08 -0.54 0.00 0.00 175.26 174.58 1x5r s VAL 19 N 1.63 3.94 -0.33 3.70 1.01 -0.39 -4.93 120.40 125.05 1x5r s VAL 19 Ca 0.06 -0.42 0.04 0.00 0.00 0.00 0.00 61.98 61.66 1x5r s VAL 19 Cb -0.15 -2.64 0.09 0.00 0.00 0.00 0.00 36.38 33.68 1x5r s VAL 19 CO 0.05 0.57 0.03 -0.69 0.00 0.00 0.00 175.10 175.06 1x5r s VAL 20 N -0.87 2.17 0.09 2.92 1.01 -1.26 -1.20 120.40 123.27 1x5r s VAL 20 Ca 0.13 -2.19 -0.12 0.00 0.00 0.00 0.00 61.98 59.81 1x5r s VAL 20 Cb -0.11 -2.56 -0.06 0.00 0.00 0.00 0.00 36.38 33.64 1x5r s VAL 20 CO 0.03 -0.52 0.44 -0.76 0.00 0.00 0.00 175.10 174.28 1x5r s LEU 21 N 0.98 4.36 -0.19 3.92 1.43 -0.73 -4.90 118.68 123.55 1x5r s LEU 21 Ca 0.08 0.89 -0.01 0.00 -1.03 0.00 0.00 54.13 54.06 1x5r s LEU 21 Cb -0.19 -3.01 0.05 0.00 0.03 0.00 0.00 46.19 43.07 1x5r s LEU 21 CO -0.09 0.17 -0.04 0.00 0.23 0.00 0.00 176.35 176.63 1x5r n GLY 23 N 4.85 3.15 3.96 0.00 0.00 -1.23 -4.93 105.19 110.99 1x5r n GLY 23 Ca -0.11 -1.75 -0.22 0.00 0.00 0.00 0.00 46.02 43.94 1x5r n GLY 23 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1x5r s ASP 24 N -2.46 6.04 0.24 1.61 1.01 -1.01 -4.29 116.67 117.80 1x5r s ASP 24 Ca 0.24 0.14 0.25 0.00 0.71 0.00 0.00 52.55 53.89 1x5r s ASP 24 Cb 0.01 -1.59 0.90 0.00 1.01 0.00 0.00 42.92 43.25 1x5r s ASP 24 CO 0.17 -0.44 1.75 -0.81 0.21 0.00 0.00 175.17 176.05 1x5r n PRO 25 N -1.78 0.23 -0.13 8.23 -0.04 -1.24 0.19 135.00 140.46 1x5r n PRO 25 Ca -0.02 0.32 -0.27 0.00 -0.04 0.00 0.00 63.50 63.49 1x5r n PRO 25 Cb 0.57 -1.84 -0.10 0.00 -0.04 0.00 0.00 33.50 32.09 1x5r n PRO 25 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1x5r n LEU 26 N -2.26 1.92 -0.29 1.53 4.77 -1.26 -4.25 117.00 117.17 1x5r n LEU 26 Ca 0.04 0.37 0.08 0.00 -0.03 0.00 0.00 56.01 56.46 1x5r n LEU 26 Cb 0.33 -0.87 0.34 0.00 -2.33 0.00 0.00 43.42 40.89 1x5r n LEU 26 CO 0.25 0.46 0.73 -0.24 -1.33 0.00 0.00 177.39 177.27 1x5r n SER 27 N -4.32 0.85 0.00 -1.43 2.88 -1.23 -4.97 113.62 105.40 1x5r n SER 27 Ca -0.47 -1.71 0.00 0.00 -1.33 0.00 0.00 58.87 55.37 1x5r n SER 27 Cb 0.81 -0.07 0.00 0.00 -0.75 0.00 0.00 64.21 64.20 1x5r n SER 27 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x5r n GLY 28 N 0.90 2.72 0.00 0.46 0.00 0.13 -4.61 105.19 104.78 1x5r n GLY 28 Ca 0.12 0.12 0.00 0.00 0.00 0.00 0.00 46.02 46.26 1x5r n GLY 28 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1x5r n PHE 29 N 14.00 0.00 0.00 1.61 3.72 -1.26 -2.41 117.46 133.12 1x5r n PHE 29 Ca 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.40 1x5r n PHE 29 Cb 0.00 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.54 1x5r n PHE 29 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1x5r n GLY 30 N 3.32 -0.79 3.62 1.37 0.00 -1.26 -4.04 105.19 107.41 1x5r n GLY 30 Ca 0.00 0.21 -0.12 0.00 0.00 0.00 0.00 46.02 46.12 1x5r n GLY 30 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1x5r s LEU 31 N 0.00 -0.57 -0.10 0.99 0.05 -1.26 -2.97 118.68 114.82 1x5r s LEU 31 Ca 0.00 1.05 0.03 0.00 0.05 0.00 0.00 54.13 55.26 1x5r s LEU 31 Cb 0.00 2.14 -0.01 0.00 -2.05 0.00 0.00 46.19 46.27 1x5r s LEU 31 CO 0.00 -0.23 -0.20 -1.10 -0.55 0.00 0.00 176.35 174.27 1x5r s GLN 32 N 0.11 3.04 0.24 1.48 -1.52 0.16 -4.97 119.66 118.20 1x5r s GLN 32 Ca 0.01 -0.82 -0.04 0.00 -1.95 0.00 0.00 55.36 52.56 1x5r s GLN 32 Cb -0.04 -2.38 -0.05 0.00 -0.22 0.00 0.00 33.01 30.32 1x5r s GLN 32 CO -0.02 0.25 0.48 -0.51 -0.25 0.00 0.00 175.29 175.24 1x5r s LEU 33 N 0.20 4.14 -0.15 2.90 1.43 -1.26 0.11 118.68 126.06 1x5r s LEU 33 Ca -0.13 0.62 -0.04 0.00 -1.03 0.00 0.00 54.13 53.55 1x5r s LEU 33 Cb -0.16 -3.41 0.05 0.00 0.03 0.00 0.00 46.19 42.71 1x5r s LEU 33 CO 0.07 -0.11 0.08 -1.58 0.23 0.00 0.00 176.35 175.04 1x5r s GLN 34 N -3.31 0.11 -0.23 1.70 0.74 0.41 -4.42 119.66 114.66 1x5r s GLN 34 Ca 0.42 -0.03 -0.20 0.00 0.05 0.00 0.00 55.36 55.59 1x5r s GLN 34 Cb -0.11 -1.62 0.06 0.00 1.10 0.00 0.00 33.01 32.44 1x5r s GLN 34 CO 0.28 -0.60 0.60 0.20 -0.55 0.00 0.00 175.29 175.22 1x5r s GLY 35 N 2.11 -0.45 0.00 2.59 0.00 -1.26 -0.18 107.32 110.13 1x5r s GLY 35 Ca 0.02 1.71 0.00 0.00 0.00 0.00 0.00 44.72 46.45 1x5r s GLY 35 CO -0.08 1.49 0.00 0.61 0.00 0.00 0.00 173.10 175.12 1x5r n GLY 36 N 2.83 0.45 0.31 0.20 0.00 -1.26 -4.85 105.19 102.88 1x5r n GLY 36 Ca -0.14 -0.80 0.00 0.00 0.00 0.00 0.00 46.02 45.08 1x5r n GLY 36 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 1x5r n ILE 37 N 0.00 0.00 -1.64 -0.61 3.06 -1.26 -5.05 119.36 113.86 1x5r n ILE 37 Ca 0.00 0.00 -0.50 0.00 -2.50 0.00 0.00 62.75 59.75 1x5r n ILE 37 Cb 0.00 -0.47 -0.05 0.00 0.54 0.00 0.00 39.64 39.66 1x5r n ILE 37 CO 0.00 0.00 0.00 0.49 -2.50 0.00 0.00 176.55 174.54 1x5r n PHE 38 N -1.38 1.95 -0.30 9.51 3.72 -1.26 -4.84 117.46 124.87 1x5r n PHE 38 Ca 0.00 0.41 0.02 0.00 -0.05 0.00 0.00 57.45 57.84 1x5r n PHE 38 Cb 0.00 -2.46 0.16 0.00 -0.94 0.00 0.00 39.48 36.24 1x5r n PHE 38 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1x5r h ALA 39 N 5.93 1.18 -3.00 4.37 0.00 -1.96 -3.42 119.26 122.35 1x5r h ALA 39 Ca -0.47 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.46 1x5r h ALA 39 Cb 1.30 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.92 1x5r h ALA 39 CO 0.86 0.16 0.00 0.25 0.00 0.00 0.00 179.25 180.52 1x5r n THR 40 N -4.70 0.00 -4.11 0.00 -2.24 -1.26 -3.70 114.28 98.27 1x5r n THR 40 Ca 0.13 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.91 1x5r n THR 40 Cb 0.25 -0.76 0.00 0.00 -2.10 0.00 0.00 70.33 67.71 1x5r n THR 40 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1x5r n GLU 41 N -1.33 0.00 -3.88 -0.78 1.02 -1.26 -4.73 120.64 109.67 1x5r n GLU 41 Ca 0.00 0.00 -0.10 0.00 -0.02 0.00 0.00 57.16 57.04 1x5r n GLU 41 Cb 0.00 0.00 -0.09 0.00 -0.02 0.00 0.00 31.44 31.33 1x5r n GLU 41 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 1x5r s THR 42 N 0.00 0.13 -0.36 2.62 2.01 -1.26 -4.61 115.64 114.16 1x5r s THR 42 Ca 0.00 -1.04 -0.18 0.00 0.31 0.00 0.00 61.69 60.78 1x5r s THR 42 Cb 0.00 -1.00 0.00 0.00 0.01 0.00 0.00 72.50 71.51 1x5r s THR 42 CO 0.00 -0.57 0.51 -0.76 -0.69 0.00 0.00 174.62 173.11 1x5r s LEU 43 N -2.26 4.41 0.25 4.42 1.43 0.16 -4.91 118.68 122.18 1x5r s LEU 43 Ca -0.03 -0.12 0.16 0.00 -1.03 0.00 0.00 54.13 53.12 1x5r s LEU 43 Cb 0.00 -2.56 0.05 0.00 0.03 0.00 0.00 46.19 43.71 1x5r s LEU 43 CO -0.05 -0.50 1.33 0.28 0.23 0.00 0.00 176.35 177.63 1x5r h SER 44 N 8.51 0.00 -4.47 2.29 0.02 -1.88 -3.37 113.55 114.65 1x5r h SER 44 Ca -0.28 0.00 -0.29 0.00 -0.84 0.00 0.00 61.79 60.39 1x5r h SER 44 Cb 1.12 0.00 -0.15 0.00 0.14 0.00 0.00 62.40 63.52 1x5r h SER 44 CO 0.78 0.45 -0.67 -0.44 -1.14 0.00 0.00 176.83 175.81 1x5r s SER 45 N -6.26 1.25 0.24 3.07 0.01 -1.26 -4.91 113.70 105.84 1x5r s SER 45 Ca 0.03 -1.15 -0.30 0.00 1.31 0.00 0.00 55.95 55.84 1x5r s SER 45 Cb 0.08 0.11 -0.09 0.00 0.21 0.00 0.00 66.02 66.33 1x5r s SER 45 CO 0.75 -0.55 1.09 -2.16 0.41 0.00 0.00 173.24 172.79 1x5r s PRO 46 N -3.90 4.64 0.24 12.44 0.04 -1.26 -4.61 135.00 142.59 1x5r s PRO 46 Ca 0.23 1.76 -0.30 0.00 0.04 0.00 0.00 61.00 62.73 1x5r s PRO 46 Cb 0.06 -3.23 -0.09 0.00 0.04 0.00 0.00 34.50 31.28 1x5r s PRO 46 CO 0.03 0.18 1.09 -1.25 0.04 0.00 0.00 177.00 177.10 1x5r s PRO 47 N -1.04 4.64 0.58 0.56 0.04 -1.26 -4.49 135.00 134.03 1x5r s PRO 47 Ca 0.46 1.76 -0.05 0.00 0.04 0.00 0.00 61.00 63.21 1x5r s PRO 47 Cb -0.31 -3.22 0.01 0.00 0.04 0.00 0.00 34.50 31.02 1x5r s PRO 47 CO 0.38 0.18 0.88 -0.51 0.04 0.00 0.00 177.00 177.97 1x5r s LEU 48 N -1.05 3.25 -1.07 -3.56 1.43 0.74 -1.29 118.68 117.12 1x5r s LEU 48 Ca 0.46 0.64 -0.22 0.00 -1.03 0.00 0.00 54.13 53.97 1x5r s LEU 48 Cb -0.31 -3.46 0.03 0.00 0.03 0.00 0.00 46.19 42.48 1x5r s LEU 48 CO 0.38 -1.07 1.65 -0.69 0.23 0.00 0.00 176.35 176.85 1x5r s VAL 49 N -2.96 3.85 0.10 -1.59 1.01 -0.63 0.15 120.40 120.34 1x5r s VAL 49 Ca 0.54 -0.96 -0.26 0.00 0.00 0.00 0.00 61.98 61.30 1x5r s VAL 49 Cb -0.10 -4.86 -0.08 0.00 0.00 0.00 0.00 36.38 31.33 1x5r s VAL 49 CO 0.44 -1.70 1.43 0.00 0.00 0.00 0.00 175.10 175.27 1x5r s PHE 51 N -5.07 1.26 0.00 0.00 2.19 -1.19 -4.85 117.98 110.33 1x5r s PHE 51 Ca -0.11 -1.35 -0.01 0.00 0.33 0.00 0.00 56.93 55.78 1x5r s PHE 51 Cb 0.07 -0.63 -0.01 0.00 -1.31 0.00 0.00 43.02 41.14 1x5r s PHE 51 CO 0.48 -0.59 0.01 0.42 1.83 0.00 0.00 175.22 177.38 1x5r s ILE 52 N -4.05 0.04 0.34 3.12 1.01 -1.26 0.40 121.20 120.81 1x5r s ILE 52 Ca 0.39 -0.35 -0.26 0.00 0.00 0.00 0.00 60.65 60.43 1x5r s ILE 52 Cb 0.07 -0.14 -0.09 0.00 0.01 0.00 0.00 42.46 42.30 1x5r s ILE 52 CO 0.13 -0.19 1.00 -1.61 0.00 0.00 0.00 174.94 174.27 1x5r s GLU 53 N -0.56 4.46 0.11 2.79 2.02 -1.16 -4.95 118.70 121.41 1x5r s GLU 53 Ca -0.06 1.46 -0.30 0.00 0.02 0.00 0.00 54.97 56.09 1x5r s GLU 53 Cb -0.04 -2.79 -0.06 0.00 0.10 0.00 0.00 34.13 31.34 1x5r s GLU 53 CO -0.00 0.14 1.14 -1.25 0.02 0.00 0.00 175.26 175.31 1x5r s PRO 54 N -2.08 4.51 -0.70 0.39 0.04 -1.26 -2.57 135.00 133.32 1x5r s PRO 54 Ca 0.52 1.73 0.00 0.00 0.04 0.00 0.00 61.00 63.29 1x5r s PRO 54 Cb -0.22 -3.32 0.00 0.00 0.04 0.00 0.00 34.50 31.00 1x5r s PRO 54 CO 0.28 -0.10 0.00 -0.25 0.04 0.00 0.00 177.00 176.97 1x5r n ASP 55 N 3.22 -5.38 -4.23 6.66 8.00 -1.26 -4.95 116.55 118.60 1x5r n ASP 55 Ca 0.06 0.16 -0.30 0.00 0.71 0.00 0.00 54.79 55.43 1x5r n ASP 55 Cb 0.46 -3.46 0.19 0.00 -0.02 0.00 0.00 41.12 38.29 1x5r n ASP 55 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 1x5r s SER 56 N -2.30 2.58 0.08 -2.24 1.04 -1.06 -4.80 113.70 106.99 1x5r s SER 56 Ca 0.00 0.58 -0.14 0.00 0.48 0.00 0.00 55.95 56.87 1x5r s SER 56 Cb 0.00 -0.84 -0.21 0.00 0.10 0.00 0.00 66.02 65.07 1x5r s SER 56 CO 0.00 -3.09 1.22 1.55 0.98 0.00 0.00 173.24 173.90 1x5r h PRO 57 N -1.88 0.71 -0.00 4.02 0.13 -1.84 0.33 132.00 133.46 1x5r h PRO 57 Ca -0.46 -0.69 -0.00 0.00 -0.87 0.00 0.00 66.00 63.98 1x5r h PRO 57 Cb 1.28 0.18 -0.00 0.00 0.13 0.00 0.00 31.00 32.59 1x5r h PRO 57 CO 0.44 1.28 -0.02 0.00 -0.23 0.00 0.00 178.00 179.47 1x5r h ALA 58 N 0.44 1.96 0.14 -0.56 0.00 -1.83 -1.74 119.26 117.67 1x5r h ALA 58 Ca -0.10 -0.02 -0.36 0.00 0.00 0.00 0.00 54.91 54.44 1x5r h ALA 58 Cb 1.55 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.32 1x5r h ALA 58 CO 0.18 0.03 -1.89 1.49 0.00 0.00 0.00 179.25 179.05 1x5r h GLU 59 N 0.00 0.29 -0.95 0.00 4.57 -1.74 -3.34 114.58 113.41 1x5r h GLU 59 Ca 0.00 -0.50 0.20 0.00 -1.18 0.00 0.00 59.36 57.88 1x5r h GLU 59 Cb 0.04 0.19 -0.11 0.00 -0.16 0.00 0.00 28.75 28.70 1x5r h GLU 59 CO 0.00 1.24 0.53 0.00 -1.18 0.00 0.00 179.01 179.60 1x5r h ARG 60 N 0.03 0.60 0.00 1.92 3.08 0.19 1.25 114.38 121.46 1x5r h ARG 60 Ca -0.40 -0.04 -0.04 0.00 0.07 0.00 0.00 59.98 59.58 1x5r h ARG 60 Cb 2.02 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 31.93 1x5r h ARG 60 CO 0.10 0.40 -0.17 0.00 -1.07 0.00 0.00 179.97 179.23 1x5r n GLY 62 N -1.02 1.29 0.37 0.00 0.00 0.43 -4.71 105.19 101.55 1x5r n GLY 62 Ca -0.02 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.92 1x5r n GLY 62 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1x5r n LEU 63 N 0.00 -0.87 -4.72 0.99 7.99 -1.26 -4.34 117.00 114.79 1x5r n LEU 63 Ca 0.00 1.59 -0.34 0.00 -0.01 0.00 0.00 56.01 57.24 1x5r n LEU 63 Cb 0.00 -0.24 0.09 0.00 -0.11 0.00 0.00 43.42 43.16 1x5r n LEU 63 CO 0.00 -1.32 0.80 -0.76 -1.51 0.00 0.00 177.39 174.60 1x5r s LEU 64 N -10.33 3.31 -0.21 2.23 1.43 -1.26 -5.02 118.68 108.84 1x5r s LEU 64 Ca -0.11 2.37 -0.36 0.00 -1.03 0.00 0.00 54.13 54.99 1x5r s LEU 64 Cb 0.12 -4.59 0.15 0.00 0.03 0.00 0.00 46.19 41.90 1x5r s LEU 64 CO 0.57 -2.28 1.35 -1.10 0.23 0.00 0.00 176.35 175.12 1x5r s GLN 65 N -3.91 0.12 0.09 1.70 -0.21 -1.26 -4.83 119.66 111.36 1x5r s GLN 65 Ca 0.75 -0.05 -0.31 0.00 0.02 0.00 0.00 55.36 55.77 1x5r s GLN 65 Cb -0.29 0.05 -0.09 0.00 1.00 0.00 0.00 33.01 33.68 1x5r s GLN 65 CO 0.45 -0.05 1.70 0.08 -2.12 0.00 0.00 175.29 175.35 1x5r s VAL 66 N -2.15 2.86 0.00 1.09 1.01 -1.26 -2.06 120.40 119.89 1x5r s VAL 66 Ca 0.12 0.35 0.00 0.00 0.00 0.00 0.00 61.98 62.45 1x5r s VAL 66 Cb 0.01 -3.23 0.00 0.00 0.00 0.00 0.00 36.38 33.16 1x5r s VAL 66 CO -0.04 0.00 0.00 0.61 0.00 0.00 0.00 175.10 175.67 1x5r n GLY 67 N 4.05 0.96 3.41 4.51 0.00 -1.23 -4.95 105.19 111.94 1x5r n GLY 67 Ca 0.16 -0.06 -0.36 0.00 0.00 0.00 0.00 46.02 45.76 1x5r n GLY 67 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1x5r s ASP 68 N -2.06 4.91 0.31 1.61 1.11 -0.87 -4.88 116.67 116.80 1x5r s ASP 68 Ca 0.00 -0.25 -0.28 0.00 0.18 0.00 0.00 52.55 52.20 1x5r s ASP 68 Cb 0.00 -1.87 -0.09 0.00 1.07 0.00 0.00 42.92 42.02 1x5r s ASP 68 CO 0.00 -0.03 1.04 -0.13 1.18 0.00 0.00 175.17 177.23 1x5r s ARG 69 N 1.57 4.56 -0.45 8.23 0.52 -1.26 -1.60 118.95 130.51 1x5r s ARG 69 Ca 0.06 1.63 -0.07 0.00 -0.52 0.00 0.00 55.73 56.83 1x5r s ARG 69 Cb -0.15 -3.00 0.12 0.00 0.52 0.00 0.00 34.95 32.43 1x5r s ARG 69 CO 0.02 0.19 0.30 0.08 0.02 0.00 0.00 175.30 175.90 1x5r s VAL 70 N -1.33 3.88 0.06 3.52 1.01 -0.41 -3.68 120.40 123.44 1x5r s VAL 70 Ca 0.48 -1.91 -0.31 0.00 0.00 0.00 0.00 61.98 60.23 1x5r s VAL 70 Cb -0.27 -3.59 -0.16 0.00 0.00 0.00 0.00 36.38 32.36 1x5r s VAL 70 CO 0.34 -0.75 1.48 -0.07 0.00 0.00 0.00 175.10 176.10 1x5r h LEU 71 N 8.28 -1.07 -8.78 3.92 3.38 -1.13 -3.35 115.31 116.55 1x5r h LEU 71 Ca -0.18 0.06 -0.33 0.00 0.09 0.00 0.00 57.88 57.53 1x5r h LEU 71 Cb 1.06 0.32 -0.15 0.00 0.09 0.00 0.00 40.66 41.98 1x5r h LEU 71 CO 0.80 -0.64 -0.64 -0.94 0.09 0.00 0.00 178.44 177.11 1x5r s SER 72 N -3.84 1.30 -0.16 -0.43 1.04 -1.25 -1.10 113.70 109.27 1x5r s SER 72 Ca -0.16 -1.26 -0.03 0.00 0.48 0.00 0.00 55.95 54.98 1x5r s SER 72 Cb 0.03 0.12 0.05 0.00 0.10 0.00 0.00 66.02 66.31 1x5r s SER 72 CO 0.51 -0.62 0.04 -0.63 0.98 0.00 0.00 173.24 173.51 1x5r s ILE 73 N -3.66 0.36 0.00 -1.02 1.01 0.35 -2.67 121.20 115.57 1x5r s ILE 73 Ca 0.30 -0.30 0.00 0.00 0.00 0.00 0.00 60.65 60.65 1x5r s ILE 73 Cb 0.07 -0.81 0.00 0.00 0.01 0.00 0.00 42.46 41.73 1x5r s ILE 73 CO 0.08 -0.10 0.00 -3.20 0.00 0.00 0.00 174.94 171.72 1x5r n ASN 74 N 5.12 -0.64 0.00 3.58 2.85 0.49 -2.20 115.26 124.47 1x5r n ASN 74 Ca -0.08 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.39 1x5r n ASN 74 Cb 0.48 -0.53 0.00 0.00 1.24 0.00 0.00 39.78 40.98 1x5r n ASN 74 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1x5r n GLY 75 N -2.06 0.86 3.58 8.20 0.00 -1.26 -4.86 105.19 109.65 1x5r n GLY 75 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 1x5r n GLY 75 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1x5r s ILE 76 N -2.00 4.67 0.05 -0.61 -1.09 -0.93 -5.02 121.20 116.27 1x5r s ILE 76 Ca 0.00 -0.07 -0.31 0.00 -2.23 0.00 0.00 60.65 58.05 1x5r s ILE 76 Cb 0.00 -3.13 -0.06 0.00 -1.58 0.00 0.00 42.46 37.69 1x5r s ILE 76 CO 0.00 0.42 1.32 0.00 -1.23 0.00 0.00 174.94 175.45 1x5r s ALA 77 N 0.74 3.52 0.26 9.38 0.00 -1.26 0.13 121.76 134.54 1x5r s ALA 77 Ca 0.04 0.92 0.28 0.00 0.00 0.00 0.00 51.96 53.20 1x5r s ALA 77 Cb -0.13 -3.53 1.28 0.00 0.00 0.00 0.00 23.12 20.74 1x5r s ALA 77 CO 0.02 -0.67 1.98 1.79 0.00 0.00 0.00 175.76 178.87 1x5r h THR 78 N 4.61 0.43 0.00 0.00 1.35 -1.35 -1.60 112.91 116.35 1x5r h THR 78 Ca -0.40 -0.74 0.00 0.00 -0.55 0.00 0.00 66.41 64.72 1x5r h THR 78 Cb 1.20 1.52 0.00 0.00 -1.73 0.00 0.00 68.15 69.14 1x5r h THR 78 CO 0.86 0.13 0.00 -0.62 -0.25 0.00 0.00 175.52 175.65 1x5r n GLU 79 N -3.41 0.20 -2.07 4.72 1.02 -1.26 -2.79 120.64 117.06 1x5r n GLU 79 Ca -0.01 0.40 -0.34 0.00 -0.02 0.00 0.00 57.16 57.19 1x5r n GLU 79 Cb 0.32 -1.87 0.03 0.00 -0.02 0.00 0.00 31.44 29.90 1x5r n GLU 79 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1x5r n ASP 80 N -2.25 6.39 0.00 1.62 8.00 -0.60 -4.36 116.55 125.35 1x5r n ASP 80 Ca 0.02 -3.79 0.00 0.00 0.71 0.00 0.00 54.79 51.74 1x5r n ASP 80 Cb 0.25 -0.80 0.00 0.00 -0.02 0.00 0.00 41.12 40.56 1x5r n ASP 80 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1x5r n GLY 81 N -0.57 1.20 3.82 0.44 0.00 -1.12 -4.91 105.19 104.05 1x5r n GLY 81 Ca 0.49 -0.61 -0.28 0.00 0.00 0.00 0.00 46.02 45.62 1x5r n GLY 81 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1x5r s THR 82 N -2.16 1.67 0.13 2.61 -4.23 -1.26 0.38 115.64 112.78 1x5r s THR 82 Ca 0.00 -1.70 -0.16 0.00 -1.18 0.00 0.00 61.69 58.65 1x5r s THR 82 Cb 0.00 -2.37 -0.01 0.00 1.34 0.00 0.00 72.50 71.46 1x5r s THR 82 CO 0.00 0.00 1.64 -0.03 -0.54 0.00 0.00 174.62 175.69 1x5r h MET 83 N 1.11 0.63 0.29 3.99 4.05 -1.85 -2.46 114.93 120.70 1x5r h MET 83 Ca -0.41 -0.15 -0.01 0.00 -0.28 0.00 0.00 59.70 58.85 1x5r h MET 83 Cb 1.29 -0.09 0.00 0.00 -0.80 0.00 0.00 31.60 32.01 1x5r h MET 83 CO 0.66 0.65 -0.14 0.93 0.23 0.00 0.00 176.91 179.23 1x5r h GLU 84 N 0.50 -0.38 -0.72 0.39 5.08 -1.93 -2.79 114.58 114.73 1x5r h GLU 84 Ca 0.13 0.03 0.14 0.00 -1.00 0.00 0.00 59.36 58.65 1x5r h GLU 84 Cb 0.29 0.09 -0.14 0.00 0.50 0.00 0.00 28.75 29.49 1x5r h GLU 84 CO -0.00 -0.16 -0.24 0.93 -1.00 0.00 0.00 179.01 178.54 1x5r h GLU 85 N -0.54 -0.04 -0.77 2.33 4.39 -1.89 1.02 114.58 119.08 1x5r h GLU 85 Ca -0.04 0.00 0.16 0.00 0.34 0.00 0.00 59.36 59.82 1x5r h GLU 85 Cb 0.40 0.01 -0.10 0.00 -0.10 0.00 0.00 28.75 28.95 1x5r h GLU 85 CO 0.07 -0.03 0.29 0.00 -1.16 0.00 0.00 179.01 178.18 1x5r h ALA 86 N 1.53 1.10 -0.35 3.43 0.00 -1.31 1.60 119.26 125.25 1x5r h ALA 86 Ca 0.32 0.13 -0.16 0.00 0.00 0.00 0.00 54.91 55.21 1x5r h ALA 86 Cb 0.55 0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 1x5r h ALA 86 CO -0.76 -0.25 -0.41 -0.91 0.00 0.00 0.00 179.25 176.93 1x5r h ASN 87 N 0.41 0.94 -0.66 0.00 2.35 0.50 -2.91 115.58 116.21 1x5r h ASN 87 Ca 0.44 -0.44 -0.07 0.00 -0.55 0.00 0.00 56.30 55.68 1x5r h ASN 87 Cb 0.70 -0.27 -0.03 0.00 0.05 0.00 0.00 38.32 38.78 1x5r h ASN 87 CO -0.44 1.22 0.13 -0.61 -1.65 0.00 0.00 177.43 176.09 1x5r h GLN 88 N 0.71 1.08 -0.71 0.81 5.75 0.41 -2.13 115.11 121.03 1x5r h GLN 88 Ca 0.05 -0.28 0.09 0.00 -0.15 0.00 0.00 58.65 58.37 1x5r h GLN 88 Cb 0.99 -0.13 -0.05 0.00 1.07 0.00 0.00 27.48 29.36 1x5r h GLN 88 CO 0.10 0.98 0.47 -0.07 -2.65 0.00 0.00 178.83 177.65 1x5r h LEU 89 N 1.00 0.55 -0.77 -2.39 3.38 0.22 0.24 115.31 117.55 1x5r h LEU 89 Ca 0.20 0.01 -0.13 0.00 0.09 0.00 0.00 57.88 58.06 1x5r h LEU 89 Cb 0.40 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.04 1x5r h LEU 89 CO 0.01 0.33 -0.46 -0.07 0.09 0.00 0.00 178.44 178.34 1x5r h LEU 90 N 0.61 0.38 0.24 1.67 3.38 -1.21 -2.53 115.31 117.85 1x5r h LEU 90 Ca 0.32 -0.18 -0.01 0.00 0.09 0.00 0.00 57.88 58.10 1x5r h LEU 90 Cb 0.46 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.10 1x5r h LEU 90 CO -0.11 0.79 -0.11 -0.09 0.09 0.00 0.00 178.44 179.01 1x5r h ARG 91 N 0.29 -0.31 -0.95 1.13 2.43 -0.08 -0.55 114.38 116.35 1x5r h ARG 91 Ca 0.02 0.02 0.28 0.00 -0.81 0.00 0.00 59.98 59.49 1x5r h ARG 91 Cb 0.92 0.07 -0.15 0.00 -0.42 0.00 0.00 29.97 30.40 1x5r h ARG 91 CO 0.08 -0.20 0.41 0.22 -1.51 0.00 0.00 179.97 178.96 1x5r h ASP 92 N -0.34 0.26 -0.84 -3.80 3.58 -1.41 1.42 116.42 115.29 1x5r h ASP 92 Ca -0.03 0.20 0.05 0.00 0.42 0.00 0.00 57.03 57.66 1x5r h ASP 92 Cb 0.24 0.21 -0.06 0.00 1.72 0.00 0.00 39.33 41.44 1x5r h ASP 92 CO 0.05 -0.15 0.53 0.00 -2.88 0.00 0.00 179.24 176.79 1x5r h ALA 93 N 1.83 1.14 -0.63 -0.78 0.00 -1.29 0.29 119.26 119.81 1x5r h ALA 93 Ca 0.65 -0.02 0.05 0.00 0.00 0.00 0.00 54.91 55.59 1x5r h ALA 93 Cb 1.42 -0.26 -0.04 0.00 0.00 0.00 0.00 17.79 18.92 1x5r h ALA 93 CO -0.64 0.32 0.42 0.00 0.00 0.00 0.00 179.25 179.35 1x5r h ALA 94 N 1.38 1.71 0.00 0.00 0.00 0.36 0.59 119.26 123.29 1x5r h ALA 94 Ca 0.35 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.24 1x5r h ALA 94 Cb 0.09 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.69 1x5r h ALA 94 CO -0.14 0.21 0.00 1.28 0.00 0.00 0.00 179.25 180.59 1x5r n LEU 95 N -4.47 0.59 0.07 0.00 4.77 0.05 -1.47 117.00 116.54 1x5r n LEU 95 Ca 0.08 0.64 0.11 0.00 -0.03 0.00 0.00 56.01 56.82 1x5r n LEU 95 Cb 0.17 -0.56 -0.05 0.00 -2.33 0.00 0.00 43.42 40.66 1x5r n LEU 95 CO 0.34 -0.51 -0.19 0.00 -1.33 0.00 0.00 177.39 175.70 1x5r n ALA 96 N -1.74 2.58 -0.99 -1.18 0.00 0.20 -4.94 120.51 114.43 1x5r n ALA 96 Ca 0.02 -0.32 0.00 0.00 0.00 0.00 0.00 53.44 53.15 1x5r n ALA 96 Cb 0.23 -1.01 0.00 0.00 0.00 0.00 0.00 19.45 18.67 1x5r n ALA 96 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1x5r n HIS 97 N -2.57 0.00 -3.71 0.00 8.25 -0.54 -4.98 115.22 111.67 1x5r n HIS 97 Ca -0.01 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.32 1x5r n HIS 97 Cb 0.56 -0.05 -0.10 0.00 1.12 0.00 0.00 29.99 31.52 1x5r n HIS 97 CO 0.00 0.00 0.00 0.21 0.64 0.00 0.00 176.34 177.19 1x5r s LYS 98 N -0.05 0.53 -0.00 -0.41 2.20 -1.18 -3.57 119.74 117.26 1x5r s LYS 98 Ca 0.00 0.70 -0.01 0.00 -0.36 0.00 0.00 55.97 56.29 1x5r s LYS 98 Cb 0.00 0.22 -0.00 0.00 -1.51 0.00 0.00 37.83 36.53 1x5r s LYS 98 CO 0.00 -0.08 0.03 0.54 -0.36 0.00 0.00 175.35 175.48 1x5r s VAL 99 N 0.49 0.03 -0.16 4.02 0.11 -0.63 -4.62 120.40 119.64 1x5r s VAL 99 Ca -0.02 -0.28 -0.02 0.00 -2.93 0.00 0.00 61.98 58.73 1x5r s VAL 99 Cb -0.04 -0.14 -0.02 0.00 -1.53 0.00 0.00 36.38 34.65 1x5r s VAL 99 CO -0.02 -0.15 -0.08 -0.69 -3.33 0.00 0.00 175.10 170.82 1x5r s VAL 100 N -0.46 3.40 0.07 2.04 1.01 -1.26 -1.78 120.40 123.43 1x5r s VAL 100 Ca -0.05 -0.52 0.10 0.00 0.00 0.00 0.00 61.98 61.50 1x5r s VAL 100 Cb -0.03 -2.48 -0.03 0.00 0.00 0.00 0.00 36.38 33.84 1x5r s VAL 100 CO -0.00 0.49 -0.26 -0.76 0.00 0.00 0.00 175.10 174.57 1x5r s LEU 101 N 0.59 2.24 -0.18 3.92 2.01 -0.34 0.19 118.68 127.09 1x5r s LEU 101 Ca -0.05 -0.62 0.01 0.00 0.01 0.00 0.00 54.13 53.47 1x5r s LEU 101 Cb -0.15 -1.29 0.04 0.00 0.01 0.00 0.00 46.19 44.80 1x5r s LEU 101 CO 0.03 0.24 -0.10 -0.70 1.01 0.00 0.00 176.35 176.83 1x5r s GLU 102 N -1.46 1.99 0.20 1.70 2.12 -1.09 -1.26 118.70 120.90 1x5r s GLU 102 Ca 0.13 -0.74 0.05 0.00 0.36 0.00 0.00 54.97 54.76 1x5r s GLU 102 Cb -0.10 -2.30 -0.04 0.00 0.26 0.00 0.00 34.13 31.96 1x5r s GLU 102 CO 0.03 -0.39 0.23 0.08 -0.54 0.00 0.00 175.26 174.67 1x5r s VAL 103 N 1.45 4.81 -0.18 3.70 1.01 -0.88 -0.51 120.40 129.80 1x5r s VAL 103 Ca 0.00 -1.07 0.01 0.00 0.00 0.00 0.00 61.98 60.92 1x5r s VAL 103 Cb -0.15 -3.53 0.03 0.00 0.00 0.00 0.00 36.38 32.72 1x5r s VAL 103 CO -0.09 -0.22 -0.15 -0.70 0.00 0.00 0.00 175.10 173.95 1x5r s GLU 104 N -3.51 2.44 0.25 2.72 2.12 -1.24 -2.53 118.70 118.94 1x5r s GLU 104 Ca 0.33 -0.76 -0.21 0.00 0.36 0.00 0.00 54.97 54.70 1x5r s GLU 104 Cb -0.09 -2.37 0.03 0.00 0.26 0.00 0.00 34.13 31.96 1x5r s GLU 104 CO 0.26 -0.29 0.66 -0.59 -0.54 0.00 0.00 175.26 174.76 1x5r s PHE 105 N 1.38 -0.22 -0.31 5.30 -0.12 -1.13 -4.73 117.98 118.15 1x5r s PHE 105 Ca 0.03 -0.17 -0.12 0.00 -0.05 0.00 0.00 56.93 56.61 1x5r s PHE 105 Cb -0.14 0.62 -0.03 0.00 -0.63 0.00 0.00 43.02 42.83 1x5r s PHE 105 CO -0.10 -1.12 0.21 -0.51 -0.05 0.00 0.00 175.22 173.65 1x5r s ASP 106 N -2.89 6.01 -1.45 1.98 1.01 -1.26 0.27 116.67 120.34 1x5r s ASP 106 Ca 0.10 -0.21 -0.11 0.00 0.71 0.00 0.00 52.55 53.04 1x5r s ASP 106 Cb -0.04 -2.12 0.04 0.00 1.01 0.00 0.00 42.92 41.81 1x5r s ASP 106 CO 0.02 -0.14 2.37 -0.24 0.21 0.00 0.00 175.17 177.39 1x5r n SER 107 N 5.08 5.96 -1.06 0.27 2.88 -1.26 -4.85 113.62 120.63 1x5r n SER 107 Ca -0.13 -2.87 -0.01 0.00 -1.33 0.00 0.00 58.87 54.53 1x5r n SER 107 Cb 0.51 -1.56 -0.00 0.00 -0.75 0.00 0.00 64.21 62.41 1x5r n SER 107 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x5r n GLY 108 N 3.37 3.76 3.80 0.46 0.00 -1.26 -5.13 105.19 110.19 1x5r n GLY 108 Ca 0.58 -1.59 -0.34 0.00 0.00 0.00 0.00 46.02 44.67 1x5r n GLY 108 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x5r s PRO 109 N -2.04 3.78 -0.09 1.61 0.04 -1.26 -4.63 135.00 132.41 1x5r s PRO 109 Ca 0.01 1.35 -0.07 0.00 0.04 0.00 0.00 61.00 62.33 1x5r s PRO 109 Cb 0.00 -2.09 0.03 0.00 0.04 0.00 0.00 34.50 32.47 1x5r s PRO 109 CO 0.01 -0.44 0.14 0.43 0.04 0.00 0.00 177.00 177.17 1x5r n SER 110 N -1.02 -3.92 -3.85 6.66 7.64 -1.26 -5.04 113.62 112.84 1x5r n SER 110 Ca 0.09 1.42 -0.22 0.00 1.01 0.00 0.00 58.87 61.17 1x5r n SER 110 Cb 0.53 -4.85 -0.17 0.00 -1.01 0.00 0.00 64.21 58.71 1x5r n SER 110 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1x5r s SER 111 N -0.58 1.38 0.00 6.43 1.04 -1.26 -5.08 113.70 115.63 1x5r s SER 111 Ca -0.16 -0.14 0.00 0.00 0.48 0.00 0.00 55.95 56.13 1x5r s SER 111 Cb 0.01 -0.51 0.00 0.00 0.10 0.00 0.00 66.02 65.62 1x5r s SER 111 CO 0.42 -0.11 0.00 0.61 0.98 0.00 0.00 173.24 175.14